5-amino-2-[[3-[(1R)-2-(4-chlorophenyl)-1-fluoroethyl]-1,2,4-oxadiazol-5-yl]methyl]-4-methylpyridazin-3-one

C16H15ClFN5O2 — CID 169128879

IUPAC5-amino-2-[[3-[(1R)-2-(4-chlorophenyl)-1-fluoroethyl]-1,2,4-oxadiazol-5-yl]methyl]-4-methylpyridazin-3-one
SMILESCc1c(N)cnn(Cc2nc([C@H](F)Cc3ccc(Cl)cc3)no2)c1=O
InChIInChI=1S/C16H15ClFN5O2/c1-9-13(19)7-20-23(16(9)24)8-14-21-15(22-25-14)12(18)6-10-2-4-11(17)5-3-10/h2-5,7,12H,6,8,19H2,1H3/t12-/m1/s1
InChIKeyGIROVIABDGLUQU-GFCCVEGCSA-N
MW363.78 g/mol
LogP2.47
Rot. Bonds5

About 5-amino-2-[[3-[(1R)-2-(4-chlorophenyl)-1-fluoroethyl]-1,2,4-oxadiazol-5-yl]methyl]-4-methylpyridazin-3-one

5-amino-2-[[3-[(1R)-2-(4-chlorophenyl)-1-fluoroethyl]-1,2,4-oxadiazol-5-yl]methyl]-4-methylpyridazin-3-one (PubChem CID 169128879) has the molecular formula C16H15ClFN5O2 and a molecular weight of 363.78 g/mol. Its IUPAC name is 5-amino-2-[[3-[(1R)-2-(4-chlorophenyl)-1-fluoroethyl]-1,2,4-oxadiazol-5-yl]methyl]-4-methylpyridazin-3-one.

Molecular Properties

Compound Name5-amino-2-[[3-[(1R)-2-(4-chlorophenyl)-1-fluoroethyl]-1,2,4-oxadiazol-5-yl]methyl]-4-methylpyridazin-3-one
PubChem CID169128879
Molecular FormulaC16H15ClFN5O2
Molecular Weight363.78 g/mol
Exact Mass363.09
IUPAC Name5-amino-2-[[3-[(1R)-2-(4-chlorophenyl)-1-fluoroethyl]-1,2,4-oxadiazol-5-yl]methyl]-4-methylpyridazin-3-one
SMILESCc1c(N)cnn(Cc2nc([C@H](F)Cc3ccc(Cl)cc3)no2)c1=O
InChIInChI=1S/C16H15ClFN5O2/c1-9-13(19)7-20-23(16(9)24)8-14-21-15(22-25-14)12(18)6-10-2-4-11(17)5-3-10/h2-5,7,12H,6,8,19H2,1H3/t12-/m1/s1
InChIKeyGIROVIABDGLUQU-GFCCVEGCSA-N
XLogP2.47
TPSA99.83 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.78
LogP ≤ 52.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 5-amino-2-[[3-[(1R)-2-(4-chlorophenyl)-1-fluoroethyl]-1,2,4-oxadiazol-5-yl]methyl]-4-methylpyridazin-3-one with MolForge

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Related Compounds

US10239861, Example 55
CID 134236235
N-[2-(4-Chlorophenyl)ethyl]-2-{methyl[1-(3-methyl-1,2,4-oxadiazol-5-YL)ethyl]amino}acetamide
CID 50953992
2-({3-[2-(4-Chlorophenyl)ethyl]-1,2,4-oxadiazol-5-yl}methyl)-4-(trifluoromethyl)-2,3-dihydropyridazin-3-one
CID 169128871
5-amino-2-[[3-[(1R,2R)-2-(4-chlorophenyl)-1-fluoro-2-hydroxyethyl]-1,2,4-oxadiazol-5-yl]methyl]-4-methylpyridazin-3-one
CID 169128932
5-amino-2-[[3-[(1S,2S)-2-(4-chlorophenyl)-1-fluoro-2-hydroxyethyl]-1,2,4-oxadiazol-5-yl]methyl]-4-methylpyridazin-3-one
CID 169128939
4-chloro-2-[[3-[(2R)-2-(4-chlorophenyl)-2-fluoroethyl]-1,2,4-oxadiazol-5-yl]methyl]-5-(hydroxymethyl)pyridazin-3-one
CID 169128950
5-amino-2-[[3-[(1R,2S)-2-(4-chlorophenyl)-1-fluoro-2-hydroxyethyl]-1,2,4-oxadiazol-5-yl]methyl]-4-methylpyridazin-3-one
CID 169129045
4-chloro-2-[[3-[(2S)-2-(4-chlorophenyl)-2-fluoroethyl]-1,2,4-oxadiazol-5-yl]methyl]-5-(hydroxymethyl)pyridazin-3-one
CID 169129056
(S)-5-amino-2-((3-(2-(4-chloro-3-fluorophenyl)-2-hydroxyethyl)-1,2,4-oxadiazol-5-yl)methyl)-4-methylpyridazin-3(2H)-one
CID 169129061
5-amino-2-[[3-[(1S,2R)-2-(4-chlorophenyl)-1-fluoro-2-hydroxyethyl]-1,2,4-oxadiazol-5-yl]methyl]-4-methylpyridazin-3-one
CID 170091277
1-((3-(4-chlorophenethyl)-1,2,4-oxadiazol-5-yl)methyl)-3-(trifluoromethyl) pyridin-2(1H)-one
CID 170422243
6-(4-Chloro-3-fluorophenyl)-2-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-[1,2,4]triazolo[4,3-a]pyridin-3-one
CID 58044564

Frequently Asked Questions

What is the IUPAC name of 5-amino-2-[[3-[(1R)-2-(4-chlorophenyl)-1-fluoroethyl]-1,2,4-oxadiazol-5-yl]methyl]-4-methylpyridazin-3-one?
The IUPAC name of 5-amino-2-[[3-[(1R)-2-(4-chlorophenyl)-1-fluoroethyl]-1,2,4-oxadiazol-5-yl]methyl]-4-methylpyridazin-3-one (CID 169128879) is 5-amino-2-[[3-[(1R)-2-(4-chlorophenyl)-1-fluoroethyl]-1,2,4-oxadiazol-5-yl]methyl]-4-methylpyridazin-3-one.
What is the SMILES notation for 5-amino-2-[[3-[(1R)-2-(4-chlorophenyl)-1-fluoroethyl]-1,2,4-oxadiazol-5-yl]methyl]-4-methylpyridazin-3-one?
The canonical SMILES for 5-amino-2-[[3-[(1R)-2-(4-chlorophenyl)-1-fluoroethyl]-1,2,4-oxadiazol-5-yl]methyl]-4-methylpyridazin-3-one is Cc1c(N)cnn(Cc2nc([C@H](F)Cc3ccc(Cl)cc3)no2)c1=O.
What is the InChIKey of 5-amino-2-[[3-[(1R)-2-(4-chlorophenyl)-1-fluoroethyl]-1,2,4-oxadiazol-5-yl]methyl]-4-methylpyridazin-3-one?
The InChIKey is GIROVIABDGLUQU-GFCCVEGCSA-N. The full InChI is InChI=1S/C16H15ClFN5O2/c1-9-13(19)7-20-23(16(9)24)8-14-21-15(22-25-14)12(18)6-10-2-4-11(17)5-3-10/h2-5,7,12H,6,8,19H2,1H3/t12-/m1/s1.
What are the key properties of 5-amino-2-[[3-[(1R)-2-(4-chlorophenyl)-1-fluoroethyl]-1,2,4-oxadiazol-5-yl]methyl]-4-methylpyridazin-3-one?
5-amino-2-[[3-[(1R)-2-(4-chlorophenyl)-1-fluoroethyl]-1,2,4-oxadiazol-5-yl]methyl]-4-methylpyridazin-3-one has a molecular weight of 363.78 g/mol, XLogP of 2.47, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-2-[[3-[(1R)-2-(4-chlorophenyl)-1-fluoroethyl]-1,2,4-oxadiazol-5-yl]methyl]-4-methylpyridazin-3-one is sourced from PubChem (CID 169128879), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).